[4-[4-(4-dimethylaminophenyl)-6-(4-oxidanyl-4-oxidanylidene-butyl)thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium

Systemtic Name: [4-[4-(4-dimethylaminophenyl)-6-(4-oxidanyl-4-oxidanylidene-butyl)thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[4-(4-dimethylaminophenyl)-6-(4-hydroxy-4-oxo-butyl)thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[4-(4-dimethylaminophenyl)-6-(4-hydroxy-4-oxobutyl)-2-thiopyranylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[4-(4-dimethylaminophenyl)-6-(4-hydroxy-4-oxobutyl)thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[4-(4-dimethylaminophenyl)-6-(4-hydroxy-4-keto-butyl)thiopyran-2-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C25H29N2O2S+ MolecularWeight: 421.57496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=C3C=CC(=[N+](C)C)C=C3)SC(=C2)CCCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=C3C=CC(=[N+](C)C)C=C3)SC(=C2)CCCC(=O)O

InChI

InChI=1S/C25H28N2O2S/c1-26(2)21-12-8-18(9-13-21)20-16-23(6-5-7-25(28)29)30-24(17-20)19-10-14-22(15-11-19)27(3)4/h8-17H,5-7H2,1-4H3/p+1